2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide

C16H18N8O2 — CID 131935094

IUPAC2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(N(C)C)nc2C)cc(-n2cnnn2)c1
InChIInChI=1S/C16H18N8O2/c1-10-14(8-17-16(19-10)23(2)3)15(25)20-11-5-12(7-13(6-11)26-4)24-9-18-21-22-24/h5-9H,1-4H3,(H,20,25)
InChIKeyVFZQBCVRHDDCFD-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.09
Rot. Bonds5

About 2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide

2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 131935094) has the molecular formula C16H18N8O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide
PubChem CID131935094
Molecular FormulaC16H18N8O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(N(C)C)nc2C)cc(-n2cnnn2)c1
InChIInChI=1S/C16H18N8O2/c1-10-14(8-17-16(19-10)23(2)3)15(25)20-11-5-12(7-13(6-11)26-4)24-9-18-21-22-24/h5-9H,1-4H3,(H,20,25)
InChIKeyVFZQBCVRHDDCFD-UHFFFAOYSA-N
XLogP1.09
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 20959480
2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide
CID 131896599
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 4155435
4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride
CID 154912324
N-(3,5-dimethoxyphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080233
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131910795
1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131924947
N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 46345478
3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide
CID 1231769
1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
CID 72918036
1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea
CID 74247300
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131934682

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide (CID 131935094) is 2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide is COc1cc(NC(=O)c2cnc(N(C)C)nc2C)cc(-n2cnnn2)c1.
What is the InChIKey of 2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is VFZQBCVRHDDCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2/c1-10-14(8-17-16(19-10)23(2)3)15(25)20-11-5-12(7-13(6-11)26-4)24-9-18-21-22-24/h5-9H,1-4H3,(H,20,25).
What are the key properties of 2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide?
2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 131935094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).